1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one

C18H20FN3O — CID 67578845

IUPAC1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cccc(F)c2)CN1NCc1ccccc1
InChIInChI=1S/C18H20FN3O/c19-16-8-4-7-15(9-16)11-20-17-10-18(23)22(13-17)21-12-14-5-2-1-3-6-14/h1-9,17,20-21H,10-13H2
InChIKeyMGHVDSWSHLISQW-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.22
Rot. Bonds6

About 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one

1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one (PubChem CID 67578845) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one
PubChem CID67578845
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2cccc(F)c2)CN1NCc1ccccc1
InChIInChI=1S/C18H20FN3O/c19-16-8-4-7-15(9-16)11-20-17-10-18(23)22(13-17)21-12-14-5-2-1-3-6-14/h1-9,17,20-21H,10-13H2
InChIKeyMGHVDSWSHLISQW-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one (CID 67578845) is 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2cccc(F)c2)CN1NCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one?
The InChIKey is MGHVDSWSHLISQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-8-4-7-15(9-16)11-20-17-10-18(23)22(13-17)21-12-14-5-2-1-3-6-14/h1-9,17,20-21H,10-13H2.
What are the key properties of 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one?
1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one has a molecular weight of 313.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-4-[(3-fluorophenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 67578845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).